[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone

C18H20N4O5 — CID 155870453

IUPAC[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
SMILESCOc1cc(C(=O)N2CCC3(CN(C(=O)c4cccnc4)CCO3)C2)on1
InChIInChI=1S/C18H20N4O5/c1-25-15-9-14(27-20-15)17(24)21-6-4-18(11-21)12-22(7-8-26-18)16(23)13-3-2-5-19-10-13/h2-3,5,9-10H,4,6-8,11-12H2,1H3
InChIKeyDIRVEUWLDBZPGZ-UHFFFAOYSA-N
MW372.38 g/mol
LogP0.84
Rot. Bonds3

About [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone

[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone (PubChem CID 155870453) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
PubChem CID155870453
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
SMILESCOc1cc(C(=O)N2CCC3(CN(C(=O)c4cccnc4)CCO3)C2)on1
InChIInChI=1S/C18H20N4O5/c1-25-15-9-14(27-20-15)17(24)21-6-4-18(11-21)12-22(7-8-26-18)16(23)13-3-2-5-19-10-13/h2-3,5,9-10H,4,6-8,11-12H2,1H3
InChIKeyDIRVEUWLDBZPGZ-UHFFFAOYSA-N
XLogP0.84
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
[9-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 97450891
(3-methoxy-1,2-oxazol-5-yl)-(4-pyridin-2-yl-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl)methanone
CID 155876765
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
(9-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827533
pyridin-3-yl-(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844882
[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681929
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131685917
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131689476
[(4S,5R)-4-(methoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 97452420

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone (CID 155870453) is [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone is COc1cc(C(=O)N2CCC3(CN(C(=O)c4cccnc4)CCO3)C2)on1.
What is the InChIKey of [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone?
The InChIKey is DIRVEUWLDBZPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-25-15-9-14(27-20-15)17(24)21-6-4-18(11-21)12-22(7-8-26-18)16(23)13-3-2-5-19-10-13/h2-3,5,9-10H,4,6-8,11-12H2,1H3.
What are the key properties of [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone?
[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone has a molecular weight of 372.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 155870453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).